SCHEMBL28427552

SCHEMBL28427552

CCOC(=O)c1nc2ccccc2nc1Sc1ccc(Br)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TARBP2 Q15633 1/20 0.46
CYP19A1 P11511 2/20 0.45
ALDH1A1 P00352 3/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTT P42858 2/20 0.43
LMNA P02545 3/20 0.42
MAPT P10636 3/20 0.42
NPSR1 Q6W5P4 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ALOX12 P18054 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ELANE P08246 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28423614 0.87 ALOX12 (0.48) TARBP2CYP19A1ALDH1A1POLBTDP1
SCHEMBL28422024 0.82 MAPT (0.49) TARBP2ALDH1A1POLBLMNAMAPT
SCHEMBL28422077 0.80 ALOX12 (0.64) ALDH1A1POLBTDP1LMNAMAPT
SCHEMBL29889909 0.79 MEN1 (0.46) ALDH1A1HTTMAPTSMN1; SMN2MEN1
SCHEMBL28429182 0.78 MAPT (0.67) ALDH1A1POLBTDP1HTTLMNA
SCHEMBL28421990 0.76 RXFP1 (0.46) ALDH1A1POLBHTTLMNAMAPT
SCHEMBL28416681 0.75 RXFP1 (0.43) ALDH1A1HTTLMNAMAPT
SCHEMBL11262770 0.75 SMN1; SMN2 (0.40) TARBP2ALDH1A1POLBLMNAMAPT
SCHEMBL11254271 0.75 SMN1; SMN2 (0.40) TARBP2ALDH1A1POLBLMNAMAPT
SCHEMBL11254260 0.74 HSD17B10 (0.49) TARBP2ALDH1A1POLBLMNAMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981819-B Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2022-07-01 CN disclosed
CN-110981819-A Quinoxaline signal channel inhibitor and preparation method and application thereof 广西师范大学 2020-04-10 CN disclosed